Protonation of Nickel-Iron Hydrogenase Models Proceeds after Isomerization at Nickel.

Theory and experiment indicate that the protonation of reduced NiFe dithiolates proceeds via a previously undetected isomer with enhanced basicity. In particular, it is proposed that protonation of (OC)Fe(pdt)-Ni(dppe) (1; pdt = S(CH)S; dppe = PhP(CH)PPh) occurs at the Fe site of the two-electron mi...

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Publicado en:	Journal of the American Chemical Society Vol. 136; no. 35; pp. 12385 - 12396
Autores principales:	Mioy T. Huynh, Schilter, David, Hammes-Schiffer, Sharon, Rauchfuss, Thomas B.
Formato:	Artículo
Publicado:	American Chemical Society 9/3/2014
Materias:	Proton transfer reactions Hydrogenase Isomerization Iron-nickel alloys Isomers Hydrides Potential energy surfaces Density functional theory
Acceso en línea:	Ver este registro en EBSCOhost